| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:08 UTC |
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| Update Date | 2025-03-21 18:41:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134354 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C6H12N2O2S |
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| Molecular Mass | 176.0619 |
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| SMILES | CSCCC(NC=O)C(N)=O |
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| InChI Key | QDBNSQVIPMGPDJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | methionine and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha amino acidscarbonyl compoundscarboxylic acids and derivativesdialkylthioethersfatty amideshydrocarbon derivativesn-formyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidefatty acylaliphatic acyclic compoundcarbonyl groupfatty amideorganosulfur compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-formyl-alpha amino acid or derivativessulfenyl compounddialkylthioethercarboxamide groupsecondary carboxylic acid amiden-formyl-alpha-amino acidorganic oxygen compoundthioethermethionine or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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